Chlorine in PDB 4hfb: The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo), PDB code: 4hfb was solved by L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	183.737, 133.512, 161.120, 90.00, 103.28, 90.00
R / Rfree (%)	20.8 / 22.2

The structure of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) also contains other interesting chemical elements:

Sodium

(Na)

6 atoms

The binding sites of Chlorine atom in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) (pdb code 4hfb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo), PDB code: 4hfb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:75.4 occ:1.00 O A:HOH502 2.5 65.7 1.0 NH1 A:ARG85 3.2 72.0 1.0 N A:ARG85 3.4 86.2 1.0 N A:PHE78 3.4 77.1 1.0 CD2 A:PHE78 3.5 88.8 1.0 CG A:ARG85 3.7 80.4 1.0 CB A:ARG85 3.8 80.8 1.0 CD A:ARG85 3.9 79.3 1.0 CB A:PHE78 4.0 80.4 1.0 CA A:ARG77 4.1 74.3 1.0 CA A:ALA84 4.1 85.9 1.0 CG A:PHE78 4.2 84.6 1.0 C A:ARG77 4.2 80.6 1.0 CA A:ARG85 4.2 85.6 1.0 C A:ALA84 4.3 91.0 1.0 CA A:PHE78 4.3 77.8 1.0 CZ A:ARG85 4.3 91.3 1.0 CG2 A:VAL81 4.3 77.6 1.0 CE2 A:PHE78 4.4 93.1 1.0 CB A:ARG77 4.5 70.9 1.0 NE A:ARG85 4.5 82.2 1.0 O A:PHE78 4.6 79.1 1.0 CB A:ALA84 4.6 86.5 1.0 CG A:ARG77 4.8 72.1 1.0 O A:ILE76 4.9 79.9 1.0 C A:PHE78 5.0 79.6 1.0

Chlorine binding site 2 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:89.6 occ:1.00 N B:PHE78 3.3 75.7 1.0 NH1 B:ARG85 3.4 73.3 1.0 N B:ARG85 3.5 82.1 1.0 CD2 B:PHE78 3.6 85.0 1.0 CB B:PHE78 3.9 77.5 1.0 CG B:ARG85 4.0 81.1 1.0 CA B:ARG77 4.0 73.0 1.0 CB B:ARG85 4.1 76.0 1.0 CA B:ALA84 4.1 85.1 1.0 CD B:ARG85 4.1 84.6 1.0 CA B:PHE78 4.2 74.8 1.0 C B:ARG77 4.2 77.6 1.0 CG B:PHE78 4.2 81.4 1.0 CG2 B:VAL81 4.2 57.7 1.0 C B:ALA84 4.3 88.9 1.0 CB B:ARG77 4.3 70.3 1.0 O B:PHE78 4.4 75.4 1.0 CA B:ARG85 4.4 79.9 1.0 CZ B:ARG85 4.5 95.3 1.0 CB B:ALA84 4.6 86.3 1.0 CE2 B:PHE78 4.6 89.0 1.0 CG B:ARG77 4.6 81.3 1.0 NE B:ARG85 4.8 90.9 1.0 C B:PHE78 4.8 72.2 1.0 O B:HOH512 5.0 96.1 1.0

Chlorine binding site 3 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl402 b:78.2 occ:1.00 N C:PHE78 3.3 80.2 1.0 NH1 C:ARG85 3.5 82.6 1.0 N C:ARG85 3.6 87.9 1.0 CD2 C:PHE78 3.7 91.0 1.0 CB C:PHE78 3.9 82.9 1.0 CA C:ARG77 4.0 77.2 1.0 CA C:ALA84 4.0 88.7 1.0 CG C:ARG85 4.1 83.3 1.0 C C:ARG77 4.1 83.2 1.0 CG2 C:VAL81 4.2 81.2 1.0 CA C:PHE78 4.2 80.1 1.0 CB C:ARG77 4.2 75.9 1.0 CB C:ARG85 4.2 83.3 1.0 CG C:PHE78 4.3 86.6 1.0 CD C:ARG85 4.3 84.8 1.0 C C:ALA84 4.3 93.8 1.0 O C:PHE78 4.3 83.5 1.0 CB C:ALA84 4.5 89.6 1.0 CG C:ARG77 4.5 85.2 1.0 CA C:ARG85 4.6 86.2 1.0 CZ C:ARG85 4.6 98.8 1.0 CE2 C:PHE78 4.8 94.8 1.0 C C:PHE78 4.8 82.1 1.0 NE C:ARG85 4.9 87.5 1.0

Chlorine binding site 4 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:78.4 occ:1.00 N D:PHE78 3.3 74.2 1.0 NH1 D:ARG85 3.4 82.1 1.0 N D:ARG85 3.6 83.9 1.0 CD2 D:PHE78 3.7 84.3 1.0 CA D:ARG77 3.9 71.0 1.0 CB D:PHE78 4.0 76.5 1.0 CA D:ALA84 4.0 81.5 1.0 CG D:ARG85 4.1 85.1 1.0 C D:ARG77 4.1 77.9 1.0 CB D:ARG85 4.2 80.1 1.0 CA D:PHE78 4.2 74.2 1.0 CB D:ARG77 4.2 68.1 1.0 CG2 D:VAL81 4.2 79.5 1.0 CD D:ARG85 4.3 92.8 1.0 C D:ALA84 4.3 88.5 1.0 CG D:PHE78 4.3 80.2 1.0 O D:PHE78 4.4 76.3 1.0 CA D:ARG85 4.5 83.6 1.0 CB D:ALA84 4.5 82.3 1.0 CG D:ARG77 4.6 72.3 1.0 CZ D:ARG85 4.6 95.0 1.0 CE2 D:PHE78 4.7 88.1 1.0 C D:PHE78 4.8 76.0 1.0 NE D:ARG85 4.9 97.3 1.0 O D:ILE76 4.9 78.6 1.0

Chlorine binding site 5 out of 5 in the The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Glic Pentameric Ligand-Gated Ion Channel F14'A Ethanol-Sensitive Mutant (Apo) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl402 b:86.4 occ:1.00 N E:PHE78 3.3 80.3 1.0 NH1 E:ARG85 3.5 91.4 1.0 N E:ARG85 3.7 88.4 1.0 CD2 E:PHE78 3.7 88.5 1.0 CA E:ARG77 3.9 78.1 1.0 CB E:PHE78 3.9 81.7 1.0 C E:ARG77 4.1 83.6 1.0 CA E:ALA84 4.1 92.3 1.0 CA E:PHE78 4.1 79.7 1.0 CG E:ARG85 4.1 86.2 1.0 CB E:ARG77 4.2 79.2 1.0 CG2 E:VAL81 4.2 84.2 1.0 CB E:ARG85 4.2 81.1 1.0 CG E:PHE78 4.3 84.9 1.0 O E:HOH522 4.3 77.1 1.0 CD E:ARG85 4.3 86.0 1.0 O E:PHE78 4.3 80.6 1.0 C E:ALA84 4.4 95.1 1.0 CG E:ARG77 4.5 88.5 1.0 CB E:ALA84 4.6 93.5 1.0 CA E:ARG85 4.6 86.0 1.0 CZ E:ARG85 4.6 0.6 1.0 CE2 E:PHE78 4.7 91.9 1.0 C E:PHE78 4.7 80.2 1.0 NE E:ARG85 4.9 92.1 1.0 O E:ILE76 4.9 84.0 1.0

L.Sauguet, R.J.Howard, L.Malherbe, U.S.Lee, P.J.Corringer, R.A.Harris, M.Delarue. Structural Basis For Potentiation By Alcohols and Anaesthetics in A Ligand-Gated Ion Channel. Nat Commun V. 4 1697 2013.
ISSN: ESSN 2041-1723
PubMed: 23591864
DOI: 10.1038/NCOMMS2682